CID 121046

Brn 0864293

Structural Information

Molecular Formula
C28H31N3O
SMILES
COC1=CC2=C(C=C1)N(C=C2CCN3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5
InChI
InChI=1S/C28H31N3O/c1-32-26-12-13-28-27(20-26)24(22-31(28)21-23-8-4-2-5-9-23)14-15-29-16-18-30(19-17-29)25-10-6-3-7-11-25/h2-13,20,22H,14-19,21H2,1H3
InChIKey
AEYUVJYIUPQQMJ-UHFFFAOYSA-N
Compound name
1-benzyl-5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.2467 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.253976 208.1
[M+Na]+ 448.235918 213.4
[M-H]- 424.239424 216.5
[M+NH4]+ 443.280523 215.5
[M+K]+ 464.209858 204.8
[M+H-H2O]+ 408.243960 194.1
[M+HCOO]- 470.244901 223.4
[M+CH3COO]- 484.260551 215.2
[M+Na-2H]- 446.221366 207.7
[M]+ 425.24615142 206.9
[M]- 425.24724858 206.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.